(2S)-2-(3-aminopropylamino)-5-[bis(3-aminopropyl)amino]pentanoic acid

C14H33N5O2 — CID 11141221

IUPAC(2S)-2-(3-aminopropylamino)-5-[bis(3-aminopropyl)amino]pentanoic acid
SMILESNCCCN[C@@H](CCCN(CCCN)CCCN)C(=O)O
InChIInChI=1S/C14H33N5O2/c15-6-2-9-18-13(14(20)21)5-1-10-19(11-3-7-16)12-4-8-17/h13,18H,1-12,15-17H2,(H,20,21)/t13-/m0/s1
InChIKeyCBEFEEGIAIVVEY-ZDUSSCGKSA-N
MW303.45 g/mol
LogP-0.84
Rot. Bonds15

About (2S)-2-(3-aminopropylamino)-5-[bis(3-aminopropyl)amino]pentanoic acid

(2S)-2-(3-aminopropylamino)-5-[bis(3-aminopropyl)amino]pentanoic acid (PubChem CID 11141221) has the molecular formula C14H33N5O2 and a molecular weight of 303.45 g/mol. Its IUPAC name is (2S)-2-(3-aminopropylamino)-5-[bis(3-aminopropyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(3-aminopropylamino)-5-[bis(3-aminopropyl)amino]pentanoic acid
PubChem CID11141221
Molecular FormulaC14H33N5O2
Molecular Weight303.45 g/mol
Exact Mass303.26
IUPAC Name(2S)-2-(3-aminopropylamino)-5-[bis(3-aminopropyl)amino]pentanoic acid
SMILESNCCCN[C@@H](CCCN(CCCN)CCCN)C(=O)O
InChIInChI=1S/C14H33N5O2/c15-6-2-9-18-13(14(20)21)5-1-10-19(11-3-7-16)12-4-8-17/h13,18H,1-12,15-17H2,(H,20,21)/t13-/m0/s1
InChIKeyCBEFEEGIAIVVEY-ZDUSSCGKSA-N
XLogP-0.84
TPSA130.63 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 5-0.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride
CID 174056033
(2S)-6-amino-2-(4-carboxybutylamino)hexanoic acid
CID 164521049
(2S)-6-amino-2-(3,3-dihydroxypropylamino)hexanoic acid
CID 87855201
6-amino-2-(pentylamino)hexanoic acid;azane
CID 174768521
6-amino-2-(hexylamino)hexanoic acid
CID 87424914
2-(6-aminohexylamino)decanedioic acid
CID 140815288
(2S)-6-amino-2-(octylamino)hexanoic acid
CID 88516426
3-aminopropyl-[4-(3-aminopropylamino)-5-oxo-5-(tetradecylamino)pentyl]carbamic acid
CID 89258603
(2S)-5-amino-2-(4-aminobutylamino)-5-oxopentanoic acid
CID 6453601
(2R)-5-amino-2-(carboxymethylamino)pentanoic acid
CID 22810355
5-amino-2-(15-aminopentadecylamino)-5-oxopentanoic acid
CID 174209954
6-amino-2-(hydroxymethylamino)hexanoic acid
CID 18519143

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-aminopropylamino)-5-[bis(3-aminopropyl)amino]pentanoic acid?
The IUPAC name of (2S)-2-(3-aminopropylamino)-5-[bis(3-aminopropyl)amino]pentanoic acid (CID 11141221) is (2S)-2-(3-aminopropylamino)-5-[bis(3-aminopropyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-(3-aminopropylamino)-5-[bis(3-aminopropyl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-(3-aminopropylamino)-5-[bis(3-aminopropyl)amino]pentanoic acid is NCCCN[C@@H](CCCN(CCCN)CCCN)C(=O)O.
What is the InChIKey of (2S)-2-(3-aminopropylamino)-5-[bis(3-aminopropyl)amino]pentanoic acid?
The InChIKey is CBEFEEGIAIVVEY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H33N5O2/c15-6-2-9-18-13(14(20)21)5-1-10-19(11-3-7-16)12-4-8-17/h13,18H,1-12,15-17H2,(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-2-(3-aminopropylamino)-5-[bis(3-aminopropyl)amino]pentanoic acid?
(2S)-2-(3-aminopropylamino)-5-[bis(3-aminopropyl)amino]pentanoic acid has a molecular weight of 303.45 g/mol, XLogP of -0.84, 15 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-aminopropylamino)-5-[bis(3-aminopropyl)amino]pentanoic acid is sourced from PubChem (CID 11141221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).